(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

C15H24O2 — CID 134982976

IUPAC(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@H]2C=C[C@]1(OC(C)C)CCCC2
InChIInChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)10-14(15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m1/s1
InChIKeyAJRBVKWJTDUOMC-UKRRQHHQSA-N
MW236.35 g/mol
LogP3.48
Rot. Bonds4

About (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (PubChem CID 134982976) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
PubChem CID134982976
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@H]2C=C[C@]1(OC(C)C)CCCC2
InChIInChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)10-14(15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m1/s1
InChIKeyAJRBVKWJTDUOMC-UKRRQHHQSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene with MolForge

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Related Compounds

1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Bisabolene oxide
CID 56842615
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
3-[1-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-6,6-dimethyl-3H-1,2-dioxine
CID 163042006
1-Methoxybicyclo[4.2.2]deca-7,9-diene
CID 14040623
1-[(Propan-2-yl)oxy]bicyclo[4.2.2]deca-7,9-diene
CID 14040625
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
(4R)-1-(1-methoxyethyl)-4-methylcyclohexene
CID 155434955
(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
CID 11126670
1-Ethoxybicyclo[4.2.2]deca-7,9-diene
CID 14040624
(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene
CID 16726222

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (CID 134982976) is (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is COCC1=C[C@H]2C=C[C@]1(OC(C)C)CCCC2.
What is the InChIKey of (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The InChIKey is AJRBVKWJTDUOMC-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)10-14(15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene has a molecular weight of 236.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 134982976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).